4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde

C15H13F2NO — CID 172585764

IUPAC4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde
SMILESC=C1CC=C(C(C)(F)F)N=C1c1ccc(C=O)cc1
InChIInChI=1S/C15H13F2NO/c1-10-3-8-13(15(2,16)17)18-14(10)12-6-4-11(9-19)5-7-12/h4-9H,1,3H2,2H3
InChIKeyVFECTFJFNXRZQR-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.79
Rot. Bonds3

About 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde

4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde (PubChem CID 172585764) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde
PubChem CID172585764
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde
SMILESC=C1CC=C(C(C)(F)F)N=C1c1ccc(C=O)cc1
InChIInChI=1S/C15H13F2NO/c1-10-3-8-13(15(2,16)17)18-14(10)12-6-4-11(9-19)5-7-12/h4-9H,1,3H2,2H3
InChIKeyVFECTFJFNXRZQR-UHFFFAOYSA-N
XLogP3.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde?
The IUPAC name of 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde (CID 172585764) is 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde.
What is the SMILES notation for 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde?
The canonical SMILES for 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde is C=C1CC=C(C(C)(F)F)N=C1c1ccc(C=O)cc1.
What is the InChIKey of 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde?
The InChIKey is VFECTFJFNXRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10-3-8-13(15(2,16)17)18-14(10)12-6-4-11(9-19)5-7-12/h4-9H,1,3H2,2H3.
What are the key properties of 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde?
4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde has a molecular weight of 261.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,1-difluoroethyl)-3-methylidene-4H-pyridin-2-yl]benzaldehyde is sourced from PubChem (CID 172585764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).